| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2010 | 16 | No |
Popular Name: 5-methyl-4-[(1R)-1-methyl-2-morpholino-ethyl]-1,2,4-triazole-3-thiol 5-methyl-4-[(1R)-1-methyl-2-morp…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.23 | 3.63 | -12.21 | 1 | 5 | 0 | 46 | 242.348 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.50 | 3.98 | -44.73 | 0 | 5 | -1 | 43 | 241.34 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.23 | 6.03 | -43.26 | 2 | 5 | 1 | 47 | 243.356 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.50 | 5.99 | -51.11 | 1 | 5 | 0 | 44 | 242.348 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
